5'-(Furan-3-yl)-3,7,8-trimethylspiro[4,10-dioxatetracyclo[6.2.2.01,7.03,5]dodecane-2,3'-oxolane]-2',9-dione
| Internal ID | ab1b059d-f475-4ea8-83b8-3666f793626a |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | 5'-(furan-3-yl)-3,7,8-trimethylspiro[4,10-dioxatetracyclo[6.2.2.01,7.03,5]dodecane-2,3'-oxolane]-2',9-dione |
| SMILES (Canonical) | CC12CCC3(C1(CC4C(C35CC(OC5=O)C6=COC=C6)(O4)C)C)OC2=O |
| SMILES (Isomeric) | CC12CCC3(C1(CC4C(C35CC(OC5=O)C6=COC=C6)(O4)C)C)OC2=O |
| InChI | InChI=1S/C20H22O6/c1-16-5-6-20(26-14(16)21)17(16,2)9-13-18(3,25-13)19(20)8-12(24-15(19)22)11-4-7-23-10-11/h4,7,10,12-13H,5-6,8-9H2,1-3H3 |
| InChI Key | LHVHLTYUKQOIQB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 78.30 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 5'-(Furan-3-yl)-3,7,8-trimethylspiro[4,10-dioxatetracyclo[6.2.2.01,7.03,5]dodecane-2,3'-oxolane]-2',9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a96fa3d0-8376-11ee-806d-57e5971ff7ab.jpg "2D Structure of 5'-(Furan-3-yl)-3,7,8-trimethylspiro[4,10-dioxatetracyclo[6.2.2.01,7.03,5]dodecane-2,3'-oxolane]-2',9-dione")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.56% | 93.40% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 96.18% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.59% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.54% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.96% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.68% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.26% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.04% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.91% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.48% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.27% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.18% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.47% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.61% | 94.80% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.37% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Microglossa pyrrhopappa |
| PubChem | 14707185 |
| LOTUS | LTS0178747 |
| wikiData | Q105152002 |